#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uem s SER 2 N 0.00 -0.87 0.27 1.61 0.15 -1.26 -5.02 113.70 108.59 1uem s SER 2 Ca 0.00 0.74 -0.18 0.00 0.70 0.00 0.00 55.95 57.21 1uem s SER 2 Cb 0.00 1.85 0.01 0.00 -1.71 0.00 0.00 66.02 66.17 1uem s SER 2 CO 0.00 -0.27 0.65 -0.94 1.20 0.00 0.00 173.24 173.88 1uem s SER 3 N 2.76 -0.21 0.00 5.45 1.04 -1.26 -5.10 113.70 116.38 1uem s SER 3 Ca 0.16 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1uem s SER 3 Cb -0.15 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1uem s SER 3 CO -0.19 -1.29 0.00 0.61 0.98 0.00 0.00 173.24 173.35 1uem n GLY 4 N -0.44 5.89 3.53 7.32 0.00 -1.26 -4.89 105.19 115.34 1uem n GLY 4 Ca -0.03 -1.80 -0.28 0.00 0.00 0.00 0.00 46.02 43.90 1uem n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uem s SER 5 N 0.43 1.32 1.10 1.61 0.01 -1.26 -5.06 113.70 111.85 1uem s SER 5 Ca 0.00 1.49 -0.14 0.00 1.31 0.00 0.00 55.95 58.61 1uem s SER 5 Cb 0.00 -2.24 0.20 0.00 0.21 0.00 0.00 66.02 64.19 1uem s SER 5 CO 0.00 -3.99 0.71 -1.20 0.41 0.00 0.00 173.24 169.18 1uem n SER 6 N -4.77 -1.64 0.00 2.44 7.64 -1.26 -4.97 113.62 111.06 1uem n SER 6 Ca 0.04 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1uem n SER 6 Cb 0.55 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 1uem n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uem n GLY 7 N 1.22 0.00 3.61 0.23 0.00 -1.26 -5.15 105.19 103.83 1uem n GLY 7 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1uem n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uem s LYS 8 N 0.00 3.35 0.00 1.61 2.20 -1.26 -4.77 119.74 120.87 1uem s LYS 8 Ca 0.00 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 1uem s LYS 8 Cb 0.00 -2.88 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1uem s LYS 8 CO 0.00 0.48 0.00 -1.71 -0.36 0.00 0.00 175.35 173.76 1uem n ASN 9 N 2.82 0.00 -4.76 1.43 2.85 -1.26 -5.15 115.26 111.19 1uem n ASN 9 Ca -0.18 -0.72 -0.26 0.00 -0.11 0.00 0.00 54.58 53.31 1uem n ASN 9 Cb 0.53 0.00 0.09 0.00 1.24 0.00 0.00 39.78 41.64 1uem n ASN 9 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 1uem s TYR 10 N -2.11 2.54 0.16 1.20 2.02 -1.26 -4.88 117.35 115.03 1uem s TYR 10 Ca 0.00 0.37 0.03 0.00 -0.37 0.00 0.00 57.07 57.10 1uem s TYR 10 Cb 0.00 -3.36 -0.01 0.00 -0.40 0.00 0.00 41.96 38.19 1uem s TYR 10 CO 0.00 -1.69 0.15 -3.47 -1.57 0.00 0.00 175.55 168.97 1uem n ASP 11 N -3.09 -0.37 -0.01 2.29 2.03 -1.26 -5.10 116.55 111.03 1uem n ASP 11 Ca 0.10 -2.01 0.01 0.00 0.52 0.00 0.00 54.79 53.41 1uem n ASP 11 Cb 0.60 0.84 -0.05 0.00 -0.72 0.00 0.00 41.12 41.80 1uem n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1uem n LEU 12 N 0.00 0.00 -4.69 -2.67 -0.00 -1.26 -5.04 117.00 103.34 1uem n LEU 12 Ca 0.03 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.65 1uem n LEU 12 Cb 0.28 0.04 0.03 0.00 -0.00 0.00 0.00 43.42 43.78 1uem n LEU 12 CO 0.14 0.04 0.81 -0.24 -0.00 0.00 0.00 177.39 178.15 1uem n SER 13 N -1.86 2.06 0.19 1.45 2.88 -1.26 -4.90 113.62 112.18 1uem n SER 13 Ca -0.04 0.99 0.05 0.00 -1.33 0.00 0.00 58.87 58.55 1uem n SER 13 Cb 0.32 -1.48 0.38 0.00 -0.75 0.00 0.00 64.21 62.68 1uem n SER 13 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1uem h ASP 14 N 1.47 0.00 -4.26 -3.46 3.32 -1.96 -3.30 116.42 108.23 1uem h ASP 14 Ca -0.49 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.06 1uem h ASP 14 Cb 1.32 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.95 1uem h ASP 14 CO 0.57 0.36 0.37 -0.76 -1.72 0.00 0.00 179.24 178.06 1uem s LEU 15 N -7.39 3.33 1.00 1.55 1.43 -1.26 -1.11 118.68 116.23 1uem s LEU 15 Ca -0.01 1.75 -0.11 0.00 -1.03 0.00 0.00 54.13 54.73 1uem s LEU 15 Cb 0.12 -4.52 0.19 0.00 0.03 0.00 0.00 46.19 42.01 1uem s LEU 15 CO 0.69 -1.35 1.08 -2.16 0.23 0.00 0.00 176.35 174.84 1uem s PRO 16 N -4.49 0.38 0.59 1.29 0.04 -1.26 -4.05 135.00 127.49 1uem s PRO 16 Ca 0.61 1.06 -0.11 0.00 0.04 0.00 0.00 61.00 62.60 1uem s PRO 16 Cb -0.16 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1uem s PRO 16 CO 0.45 -2.91 0.99 0.20 0.04 0.00 0.00 177.00 175.77 1uem s GLY 17 N -2.85 1.69 0.64 0.56 0.00 0.23 -4.81 107.32 102.78 1uem s GLY 17 Ca 0.66 -0.11 -0.17 0.00 0.00 0.00 0.00 44.72 45.10 1uem s GLY 17 CO 0.60 0.15 1.15 2.56 0.00 0.00 0.00 173.10 177.56 1uem s PRO 18 N -5.00 2.79 0.78 2.90 0.04 -1.26 -4.18 135.00 131.06 1uem s PRO 18 Ca 0.54 1.60 -0.13 0.00 0.04 0.00 0.00 61.00 63.06 1uem s PRO 18 Cb -0.11 -1.93 0.07 0.00 0.04 0.00 0.00 34.50 32.57 1uem s PRO 18 CO 0.50 -1.30 1.17 -1.25 0.04 0.00 0.00 177.00 176.17 1uem s PRO 19 N -3.74 1.89 0.97 0.56 0.04 -1.26 -3.21 135.00 130.24 1uem s PRO 19 Ca 0.72 1.62 -0.16 0.00 0.04 0.00 0.00 61.00 63.22 1uem s PRO 19 Cb -0.25 -1.82 0.19 0.00 0.04 0.00 0.00 34.50 32.66 1uem s PRO 19 CO 0.38 -1.99 1.29 -1.12 0.04 0.00 0.00 177.00 175.59 1uem s SER 20 N -2.39 3.08 -0.07 6.66 0.01 -0.20 -4.20 113.70 116.58 1uem s SER 20 Ca 0.70 0.37 -0.34 0.00 1.31 0.00 0.00 55.95 57.99 1uem s SER 20 Cb -0.26 -0.48 -0.12 0.00 0.21 0.00 0.00 66.02 65.38 1uem s SER 20 CO 0.50 -2.76 1.89 1.17 0.41 0.00 0.00 173.24 174.44 1uem n LYS 21 N -3.81 2.24 -1.80 12.44 4.81 -1.26 -4.47 118.16 126.31 1uem n LYS 21 Ca 0.14 0.82 -0.40 0.00 -0.87 0.00 0.00 58.31 58.00 1uem n LYS 21 Cb 0.60 -2.67 0.01 0.00 0.02 0.00 0.00 35.03 32.98 1uem n LYS 21 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1uem s PRO 22 N 4.05 3.89 0.85 1.64 0.04 -1.26 -4.61 135.00 139.60 1uem s PRO 22 Ca 0.92 2.50 -0.13 0.00 0.04 0.00 0.00 61.00 64.33 1uem s PRO 22 Cb -0.67 -2.81 0.11 0.00 0.04 0.00 0.00 34.50 31.17 1uem s PRO 22 CO 0.51 -0.68 1.21 -0.65 0.04 0.00 0.00 177.00 177.42 1uem s GLN 23 N -2.28 1.65 -0.05 4.56 -1.52 0.63 -4.45 119.66 118.20 1uem s GLN 23 Ca 0.57 0.01 0.05 0.00 -1.95 0.00 0.00 55.36 54.05 1uem s GLN 23 Cb -0.45 -1.92 -0.02 0.00 -0.22 0.00 0.00 33.01 30.40 1uem s GLN 23 CO 0.60 -1.80 -0.21 0.08 -0.25 0.00 0.00 175.29 173.71 1uem s VAL 24 N -3.63 2.42 0.00 1.09 1.01 -1.26 -2.72 120.40 117.32 1uem s VAL 24 Ca 0.64 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1uem s VAL 24 Cb -0.10 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.38 1uem s VAL 24 CO 0.50 0.57 0.00 0.35 0.00 0.00 0.00 175.10 176.52 1uem n THR 25 N 2.71 0.00 -2.39 3.92 -2.24 -0.25 -4.96 114.28 111.06 1uem n THR 25 Ca -0.17 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.22 1uem n THR 25 Cb 0.52 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 1uem n THR 25 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uem s ASP 26 N 0.72 6.83 0.01 3.42 -1.08 -1.26 -4.88 116.67 120.44 1uem s ASP 26 Ca 0.00 2.29 0.02 0.00 -0.52 0.00 0.00 52.55 54.33 1uem s ASP 26 Cb 0.00 -2.62 -0.01 0.00 -1.46 0.00 0.00 42.92 38.83 1uem s ASP 26 CO 0.00 -0.45 -0.06 0.54 0.52 0.00 0.00 175.17 175.72 1uem s VAL 27 N -1.36 0.42 0.38 1.11 0.11 -1.26 -0.37 120.40 119.43 1uem s VAL 27 Ca 0.52 -0.50 0.01 0.00 -2.93 0.00 0.00 61.98 59.08 1uem s VAL 27 Cb -0.30 -0.41 -0.00 0.00 -1.53 0.00 0.00 36.38 34.13 1uem s VAL 27 CO 0.38 -0.07 0.04 0.35 -3.33 0.00 0.00 175.10 172.48 1uem n THR 28 N 2.45 0.00 0.41 5.04 -2.24 0.40 -4.84 114.28 115.50 1uem n THR 28 Ca -0.16 -1.92 0.13 0.00 -2.27 0.00 0.00 64.05 59.83 1uem n THR 28 Cb 0.57 0.49 0.45 0.00 -2.10 0.00 0.00 70.33 69.75 1uem n THR 28 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1uem h LYS 29 N 0.00 0.00 0.00 -0.78 2.10 -1.80 -1.69 116.57 114.40 1uem h LYS 29 Ca -0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1uem h LYS 29 Cb 1.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 1uem h LYS 29 CO 0.50 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 178.04 1uem n ASN 30 N -2.56 0.23 -3.87 7.07 5.03 -1.26 -2.46 115.26 117.43 1uem n ASN 30 Ca 0.03 -1.05 -0.09 0.00 0.87 0.00 0.00 54.58 54.34 1uem n ASN 30 Cb 0.36 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.07 1uem n ASN 30 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1uem s SER 31 N -0.05 -0.15 -0.08 6.41 1.04 -1.26 -0.60 113.70 119.01 1uem s SER 31 Ca 0.00 -0.70 -0.17 0.00 0.48 0.00 0.00 55.95 55.56 1uem s SER 31 Cb 0.00 0.57 0.04 0.00 0.10 0.00 0.00 66.02 66.72 1uem s SER 31 CO 0.00 -1.07 0.40 0.54 0.98 0.00 0.00 173.24 174.08 1uem s VAL 32 N -3.94 0.03 -0.22 5.02 0.11 -0.49 -0.45 120.40 120.46 1uem s VAL 32 Ca 0.15 -0.22 -0.07 0.00 -2.93 0.00 0.00 61.98 58.91 1uem s VAL 32 Cb -0.01 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 34.17 1uem s VAL 32 CO 0.02 -0.12 0.06 -0.89 -3.33 0.00 0.00 175.10 170.84 1uem s THR 33 N -0.67 4.43 -0.07 5.04 2.01 0.50 -0.78 115.64 126.10 1uem s THR 33 Ca -0.08 -0.15 0.04 0.00 0.31 0.00 0.00 61.69 61.82 1uem s THR 33 Cb -0.04 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.44 1uem s THR 33 CO 0.03 0.39 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.40 1uem s LEU 34 N 1.07 1.92 -0.24 4.42 1.43 -1.07 -1.09 118.68 125.12 1uem s LEU 34 Ca 0.04 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1uem s LEU 34 Cb -0.14 -1.14 0.07 0.00 0.03 0.00 0.00 46.19 45.00 1uem s LEU 34 CO 0.03 0.14 -0.03 -0.55 0.23 0.00 0.00 176.35 176.17 1uem s SER 35 N 0.29 3.81 0.46 2.29 0.15 -1.10 -3.04 113.70 116.56 1uem s SER 35 Ca -0.12 -1.23 0.07 0.00 0.70 0.00 0.00 55.95 55.37 1uem s SER 35 Cb -0.15 -1.12 -0.01 0.00 -1.71 0.00 0.00 66.02 63.03 1uem s SER 35 CO 0.05 -0.27 0.33 -1.66 1.20 0.00 0.00 173.24 172.90 1uem s TRP 36 N 1.43 2.29 0.10 3.44 -2.14 -1.10 -0.27 118.94 122.70 1uem s TRP 36 Ca -0.03 -0.65 0.08 0.00 2.66 0.00 0.00 56.10 58.17 1uem s TRP 36 Cb -0.19 -2.02 -0.04 0.00 -3.10 0.00 0.00 33.47 28.12 1uem s TRP 36 CO -0.08 -0.17 -0.18 1.14 -2.66 0.00 0.00 176.95 175.01 1uem s GLN 37 N -4.12 1.86 0.13 3.25 1.03 -1.26 -4.89 119.66 115.65 1uem s GLN 37 Ca 0.41 -1.13 -0.30 0.00 0.04 0.00 0.00 55.36 54.38 1uem s GLN 37 Cb -0.01 -2.14 -0.06 0.00 0.03 0.00 0.00 33.01 30.83 1uem s GLN 37 CO 0.24 0.49 1.01 -1.25 -2.54 0.00 0.00 175.29 173.24 1uem s PRO 38 N -1.98 4.66 1.15 9.60 0.04 -1.26 -1.04 135.00 146.17 1uem s PRO 38 Ca 0.17 1.54 -0.19 0.00 0.04 0.00 0.00 61.00 62.56 1uem s PRO 38 Cb -0.11 -3.35 0.28 0.00 0.04 0.00 0.00 34.50 31.37 1uem s PRO 38 CO 0.09 0.15 1.09 0.41 0.04 0.00 0.00 177.00 178.79 1uem n GLY 39 N 2.24 -2.57 3.71 0.56 0.00 -1.20 -4.83 105.19 103.11 1uem n GLY 39 Ca 0.03 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 1uem n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uem s THR 40 N -3.05 2.15 0.59 2.61 2.01 -1.26 -4.73 115.64 113.95 1uem s THR 40 Ca 0.69 0.07 -0.09 0.00 0.31 0.00 0.00 61.69 62.68 1uem s THR 40 Cb -0.06 -2.66 0.14 0.00 0.01 0.00 0.00 72.50 69.93 1uem s THR 40 CO 0.52 -0.04 0.32 -2.65 -0.69 0.00 0.00 174.62 172.08 1uem n PRO 41 N -2.79 -2.22 0.00 4.92 -0.02 -1.26 -0.60 135.00 133.03 1uem n PRO 41 Ca 0.14 -0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.08 1uem n PRO 41 Cb 0.50 -0.80 0.00 0.00 -0.02 0.00 0.00 33.50 33.18 1uem n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uem n GLY 42 N -1.84 5.76 0.09 -1.23 0.00 -1.26 -3.54 105.19 103.18 1uem n GLY 42 Ca 0.05 -1.54 -0.15 0.00 0.00 0.00 0.00 46.02 44.38 1uem n GLY 42 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1uem h THR 43 N 0.00 1.56 -3.03 2.61 2.02 -1.26 -3.47 112.91 111.33 1uem h THR 43 Ca 0.00 -1.97 -0.66 0.00 0.77 0.00 0.00 66.41 64.55 1uem h THR 43 Cb 0.00 2.80 -0.10 0.00 -1.74 0.00 0.00 68.15 69.12 1uem h THR 43 CO 0.00 0.54 -0.56 -0.76 0.37 0.00 0.00 175.52 175.11 1uem s LEU 44 N -8.50 3.98 0.44 2.58 1.43 -0.26 -5.06 118.68 113.28 1uem s LEU 44 Ca -0.16 0.21 -0.18 0.00 -1.03 0.00 0.00 54.13 52.98 1uem s LEU 44 Cb 0.01 -2.22 -0.09 0.00 0.03 0.00 0.00 46.19 43.91 1uem s LEU 44 CO 0.74 0.30 0.91 -2.16 0.23 0.00 0.00 176.35 176.38 1uem s PRO 45 N -1.55 4.07 -0.18 1.29 0.04 -1.26 -4.33 135.00 133.08 1uem s PRO 45 Ca 0.21 0.95 -0.39 0.00 0.04 0.00 0.00 61.00 61.81 1uem s PRO 45 Cb -0.12 -2.22 -0.16 0.00 0.04 0.00 0.00 34.50 32.04 1uem s PRO 45 CO 0.11 -0.08 1.67 0.00 0.04 0.00 0.00 177.00 178.74 1uem n ALA 46 N -0.94 -0.25 0.03 8.56 0.00 -1.26 -4.10 120.51 122.55 1uem n ALA 46 Ca 0.06 0.41 -0.03 0.00 0.00 0.00 0.00 53.44 53.88 1uem n ALA 46 Cb 0.54 -2.22 -0.01 0.00 0.00 0.00 0.00 19.45 17.76 1uem n ALA 46 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1uem h SER 47 N 6.78 -0.15 0.00 0.00 0.02 -1.13 -3.48 113.55 115.60 1uem h SER 47 Ca -0.47 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1uem h SER 47 Cb 1.32 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1uem h SER 47 CO 0.92 0.24 0.00 0.00 -1.14 0.00 0.00 176.83 176.85 1uem n ALA 48 N -2.63 0.00 -2.34 3.77 0.00 -0.69 -4.98 120.51 113.64 1uem n ALA 48 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.25 1uem n ALA 48 Cb 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.41 1uem n ALA 48 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1uem s TYR 49 N -2.71 1.60 0.23 0.00 1.51 -0.29 -0.58 117.35 117.10 1uem s TYR 49 Ca 0.00 -1.07 0.10 0.00 -1.01 0.00 0.00 57.07 55.08 1uem s TYR 49 Cb 0.00 -0.96 -0.05 0.00 -0.11 0.00 0.00 41.96 40.85 1uem s TYR 49 CO 0.00 -0.20 -0.17 0.42 -1.11 0.00 0.00 175.55 174.49 1uem s ILE 50 N -3.59 2.05 -0.06 2.71 1.01 0.65 -0.87 121.20 123.09 1uem s ILE 50 Ca 0.35 -2.27 0.02 0.00 0.00 0.00 0.00 60.65 58.74 1uem s ILE 50 Cb 0.07 -2.14 0.02 0.00 0.01 0.00 0.00 42.46 40.42 1uem s ILE 50 CO 0.12 -0.50 -0.10 -0.63 0.00 0.00 0.00 174.94 173.83 1uem s ILE 51 N -2.72 0.98 0.35 2.92 1.01 0.41 -1.87 121.20 122.28 1uem s ILE 51 Ca 0.25 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.60 1uem s ILE 51 Cb -0.03 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 1uem s ILE 51 CO 0.10 0.32 0.24 -1.61 0.00 0.00 0.00 174.94 173.99 1uem s GLU 52 N 0.74 2.53 -0.01 2.79 2.02 0.13 -0.73 118.70 126.17 1uem s GLU 52 Ca -0.13 -1.46 -0.05 0.00 0.02 0.00 0.00 54.97 53.34 1uem s GLU 52 Cb -0.15 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.76 1uem s GLU 52 CO 0.03 0.05 0.10 0.00 0.02 0.00 0.00 175.26 175.46 1uem s ALA 53 N -2.39 -0.23 -0.13 5.21 0.00 -0.09 -1.15 121.76 122.97 1uem s ALA 53 Ca 0.41 -0.09 -0.00 0.00 0.00 0.00 0.00 51.96 52.27 1uem s ALA 53 Cb -0.04 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.14 1uem s ALA 53 CO 0.25 -0.16 -0.10 0.12 0.00 0.00 0.00 175.76 175.87 1uem s PHE 54 N -1.01 1.71 0.00 0.00 2.19 -0.78 -1.25 117.98 118.85 1uem s PHE 54 Ca -0.11 -0.91 0.00 0.00 0.33 0.00 0.00 56.93 56.24 1uem s PHE 54 Cb -0.06 -1.35 0.00 0.00 -1.31 0.00 0.00 43.02 40.29 1uem s PHE 54 CO 0.01 -0.57 0.29 0.45 1.83 0.00 0.00 175.22 177.23 1uem n SER 55 N 4.89 0.00 0.00 6.13 2.88 -1.26 -0.30 113.62 125.96 1uem n SER 55 Ca -0.14 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1uem n SER 55 Cb 0.50 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1uem n SER 55 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1uem n GLN 56 N -1.70 0.00 -2.03 -1.46 -0.06 -1.26 -4.54 117.38 106.32 1uem n GLN 56 Ca 0.00 0.00 -0.22 0.00 -2.00 0.00 0.00 57.00 54.78 1uem n GLN 56 Cb 0.00 0.00 0.03 0.00 -4.06 0.00 0.00 30.24 26.21 1uem n GLN 56 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1uem n SER 57 N 0.00 4.66 0.00 1.69 2.88 -1.26 -4.14 113.62 117.45 1uem n SER 57 Ca 0.00 -3.65 0.00 0.00 -1.33 0.00 0.00 58.87 53.89 1uem n SER 57 Cb 0.00 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 1uem n SER 57 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1uem n VAL 58 N -0.71 0.00 -1.21 2.46 0.24 -1.26 -4.96 118.33 112.90 1uem n VAL 58 Ca 0.41 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.75 1uem n VAL 58 Cb 0.95 -0.29 0.05 0.00 -1.47 0.00 0.00 33.84 33.08 1uem n VAL 58 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1uem n SER 59 N -0.59 1.12 -3.97 -1.34 7.64 -1.26 -5.04 113.62 110.19 1uem n SER 59 Ca 0.00 -2.22 -0.28 0.00 1.01 0.00 0.00 58.87 57.39 1uem n SER 59 Cb 0.00 -0.22 -0.02 0.00 -1.01 0.00 0.00 64.21 62.96 1uem n SER 59 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1uem n ASN 60 N -0.57 -0.95 -3.67 6.43 2.85 -1.26 -4.99 115.26 113.10 1uem n ASN 60 Ca 0.05 -1.06 -0.13 0.00 -0.11 0.00 0.00 54.58 53.34 1uem n ASN 60 Cb 0.58 -2.85 -0.07 0.00 1.24 0.00 0.00 39.78 38.68 1uem n ASN 60 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1uem s SER 61 N -4.22 -0.31 0.32 1.20 0.01 -1.26 -5.10 113.70 104.33 1uem s SER 61 Ca 0.08 0.09 -0.29 0.00 1.31 0.00 0.00 55.95 57.15 1uem s SER 61 Cb -0.03 0.42 -0.11 0.00 0.21 0.00 0.00 66.02 66.50 1uem s SER 61 CO 0.90 -0.62 1.51 0.26 0.41 0.00 0.00 173.24 175.70 1uem s TRP 62 N -2.12 2.77 0.03 2.43 0.52 -1.26 -4.51 118.94 116.80 1uem s TRP 62 Ca -0.07 1.01 0.03 0.00 0.02 0.00 0.00 56.10 57.08 1uem s TRP 62 Cb -0.02 -3.98 -0.02 0.00 -1.15 0.00 0.00 33.47 28.31 1uem s TRP 62 CO 0.00 -3.08 -0.09 -0.65 0.02 0.00 0.00 176.95 173.15 1uem s GLN 63 N -1.13 0.61 -0.12 4.98 -0.21 -0.38 -4.94 119.66 118.46 1uem s GLN 63 Ca 0.58 -0.63 -0.29 0.00 0.02 0.00 0.00 55.36 55.03 1uem s GLN 63 Cb -0.46 -0.49 -0.01 0.00 1.00 0.00 0.00 33.01 33.05 1uem s GLN 63 CO 0.53 0.11 1.12 0.99 -2.12 0.00 0.00 175.29 175.92 1uem s THR 64 N -0.95 4.51 0.00 -0.19 2.01 -1.26 -0.91 115.64 118.84 1uem s THR 64 Ca -0.04 1.81 0.00 0.00 0.31 0.00 0.00 61.69 63.77 1uem s THR 64 Cb -0.08 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.27 1uem s THR 64 CO 0.01 -0.06 0.34 1.33 -0.69 0.00 0.00 174.62 175.55 1uem n VAL 65 N 4.86 0.00 -3.72 3.82 0.24 0.09 -4.95 118.33 118.67 1uem n VAL 65 Ca 0.11 -0.49 -0.13 0.00 -2.04 0.00 0.00 64.34 61.78 1uem n VAL 65 Cb 0.47 1.01 -0.10 0.00 -1.47 0.00 0.00 33.84 33.75 1uem n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uem s ALA 66 N -0.30 -1.11 -0.04 2.33 0.00 -1.02 -4.79 121.76 116.84 1uem s ALA 66 Ca 0.00 1.26 0.01 0.00 0.00 0.00 0.00 51.96 53.23 1uem s ALA 66 Cb 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.41 1uem s ALA 66 CO 0.00 -0.21 -0.02 -0.80 0.00 0.00 0.00 175.76 174.73 1uem s ASN 67 N 0.23 0.70 -0.92 0.00 -0.87 -1.26 -0.45 114.94 112.38 1uem s ASN 67 Ca -0.00 -0.07 -0.03 0.00 -1.57 0.00 0.00 52.86 51.19 1uem s ASN 67 Cb -0.03 -0.32 -0.04 0.00 -0.02 0.00 0.00 41.25 40.84 1uem s ASN 67 CO 0.01 -0.09 0.79 1.41 -2.57 0.00 0.00 177.10 176.64 1uem n HIS 68 N 4.17 -1.96 -2.90 2.20 8.25 -0.13 -5.00 115.22 119.86 1uem n HIS 68 Ca -0.24 0.74 -0.40 0.00 -0.26 0.00 0.00 57.72 57.55 1uem n HIS 68 Cb 0.50 -4.11 -0.05 0.00 1.12 0.00 0.00 29.99 27.45 1uem n HIS 68 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1uem s VAL 69 N -3.31 4.68 -0.45 1.59 1.01 -0.05 -4.78 120.40 119.08 1uem s VAL 69 Ca 0.24 1.77 0.07 0.00 0.00 0.00 0.00 61.98 64.06 1uem s VAL 69 Cb -0.03 -4.18 0.41 0.00 0.00 0.00 0.00 36.38 32.58 1uem s VAL 69 CO 0.61 0.34 1.06 0.29 0.00 0.00 0.00 175.10 177.40 1uem n LYS 70 N 2.86 3.07 -3.70 2.72 5.02 -1.26 -1.14 118.16 125.73 1uem n LYS 70 Ca -0.01 -4.39 -0.12 0.00 -2.02 0.00 0.00 58.31 51.77 1uem n LYS 70 Cb 0.50 -2.12 -0.02 0.00 -0.02 0.00 0.00 35.03 33.37 1uem n LYS 70 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1uem n THR 71 N -0.37 0.00 0.05 -0.18 5.66 -1.26 -5.05 114.28 113.12 1uem n THR 71 Ca 0.34 -1.49 0.01 0.00 -3.05 0.00 0.00 64.05 59.86 1uem n THR 71 Cb 0.64 0.97 0.01 0.00 -1.55 0.00 0.00 70.33 70.40 1uem n THR 71 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1uem n THR 72 N -0.51 0.21 -3.62 1.09 -2.24 -1.26 -4.94 114.28 103.01 1uem n THR 72 Ca -0.01 -0.61 -0.28 0.00 -2.27 0.00 0.00 64.05 60.88 1uem n THR 72 Cb 0.53 0.92 -0.16 0.00 -2.10 0.00 0.00 70.33 69.53 1uem n THR 72 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1uem s LEU 73 N -0.33 0.93 -0.03 3.22 2.96 -1.26 -2.71 118.68 121.47 1uem s LEU 73 Ca 0.02 -1.14 0.04 0.00 -0.22 0.00 0.00 54.13 52.83 1uem s LEU 73 Cb 0.02 -0.47 -0.00 0.00 0.50 0.00 0.00 46.19 46.23 1uem s LEU 73 CO 0.02 -0.40 -0.14 -0.47 -1.32 0.00 0.00 176.35 174.04 1uem s TYR 74 N 1.97 1.38 -0.56 5.38 5.04 -1.17 -5.00 117.35 124.38 1uem s TYR 74 Ca 0.06 -0.33 -0.24 0.00 -2.44 0.00 0.00 57.07 54.12 1uem s TYR 74 Cb -0.16 -0.92 0.04 0.00 0.35 0.00 0.00 41.96 41.27 1uem s TYR 74 CO -0.24 -0.09 0.96 0.99 -1.34 0.00 0.00 175.55 175.82 1uem s THR 75 N -0.08 4.36 0.36 4.34 2.01 -1.26 -2.59 115.64 122.77 1uem s THR 75 Ca 0.00 0.25 -0.28 0.00 0.31 0.00 0.00 61.69 61.97 1uem s THR 75 Cb -0.08 -4.57 -0.10 0.00 0.01 0.00 0.00 72.50 67.76 1uem s THR 75 CO 0.01 -1.16 1.35 -0.69 -0.69 0.00 0.00 174.62 173.44 1uem s VAL 76 N 4.03 2.52 0.42 3.82 1.01 0.04 -4.87 120.40 127.37 1uem s VAL 76 Ca 0.30 0.51 0.04 0.00 0.00 0.00 0.00 61.98 62.83 1uem s VAL 76 Cb -0.13 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 1uem s VAL 76 CO 0.19 0.11 0.12 -0.13 0.00 0.00 0.00 175.10 175.39 1uem s ARG 77 N -1.95 1.98 -0.43 2.72 0.52 -1.26 -1.40 118.95 119.12 1uem s ARG 77 Ca 0.51 -2.22 0.00 0.00 -0.52 0.00 0.00 55.73 53.51 1uem s ARG 77 Cb -0.41 -0.68 0.00 0.00 0.52 0.00 0.00 34.95 34.37 1uem s ARG 77 CO 0.55 -0.48 0.00 0.41 0.02 0.00 0.00 175.30 175.79 1uem n GLY 78 N -0.96 0.60 3.82 -3.53 0.00 -0.52 -4.87 105.19 99.74 1uem n GLY 78 Ca -0.07 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1uem n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uem s LEU 79 N -0.93 2.65 0.11 0.99 1.43 0.23 -5.02 118.68 118.14 1uem s LEU 79 Ca 0.00 1.26 -0.10 0.00 -1.03 0.00 0.00 54.13 54.26 1uem s LEU 79 Cb 0.00 -3.91 -0.06 0.00 0.03 0.00 0.00 46.19 42.25 1uem s LEU 79 CO 0.00 -1.85 0.44 -0.13 0.23 0.00 0.00 176.35 175.04 1uem s ARG 80 N -5.20 3.79 0.58 1.70 0.52 -1.26 -4.32 118.95 114.76 1uem s ARG 80 Ca 0.60 0.21 -0.13 0.00 -0.52 0.00 0.00 55.73 55.89 1uem s ARG 80 Cb -0.14 -2.94 -0.05 0.00 0.52 0.00 0.00 34.95 32.34 1uem s ARG 80 CO 0.54 0.51 1.01 -1.25 0.02 0.00 0.00 175.30 176.13 1uem s PRO 81 N -2.08 3.72 -0.68 3.54 0.04 -1.03 -3.72 135.00 134.79 1uem s PRO 81 Ca 0.36 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1uem s PRO 81 Cb -0.14 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1uem s PRO 81 CO 0.19 -0.47 0.00 0.09 0.04 0.00 0.00 177.00 176.85 1uem n ASN 82 N -2.24 -3.83 -4.52 6.66 3.02 -0.65 -4.94 115.26 108.77 1uem n ASN 82 Ca 0.06 0.16 -0.34 0.00 -0.03 0.00 0.00 54.58 54.43 1uem n ASN 82 Cb 0.54 -2.90 -0.12 0.00 -0.61 0.00 0.00 39.78 36.69 1uem n ASN 82 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1uem s THR 83 N -1.36 3.86 0.51 3.41 2.01 -1.24 -4.76 115.64 118.08 1uem s THR 83 Ca 0.00 -0.38 -0.23 0.00 0.31 0.00 0.00 61.69 61.40 1uem s THR 83 Cb 0.00 -2.67 -0.06 0.00 0.01 0.00 0.00 72.50 69.78 1uem s THR 83 CO 0.00 0.52 1.34 -0.63 -0.69 0.00 0.00 174.62 175.16 1uem s ILE 84 N 0.10 2.22 0.02 1.82 -1.09 -1.26 -2.61 121.20 120.40 1uem s ILE 84 Ca -0.01 0.17 -0.01 0.00 -2.23 0.00 0.00 60.65 58.58 1uem s ILE 84 Cb -0.14 -3.09 -0.02 0.00 -1.58 0.00 0.00 42.46 37.63 1uem s ILE 84 CO 0.03 0.00 -0.02 -0.31 -1.23 0.00 0.00 174.94 173.42 1uem s TYR 85 N -1.31 0.26 0.30 3.97 2.02 -0.02 -4.41 117.35 118.15 1uem s TYR 85 Ca 0.68 -0.54 0.08 0.00 -0.37 0.00 0.00 57.07 56.93 1uem s TYR 85 Cb -0.39 -0.19 -0.04 0.00 -0.40 0.00 0.00 41.96 40.93 1uem s TYR 85 CO 0.48 -0.21 0.12 -0.51 -1.57 0.00 0.00 175.55 173.85 1uem s LEU 86 N -1.57 3.39 -0.06 -1.29 1.43 0.59 -2.21 118.68 118.97 1uem s LEU 86 Ca -0.14 -0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 52.34 1uem s LEU 86 Cb -0.08 -1.90 0.04 0.00 0.03 0.00 0.00 46.19 44.27 1uem s LEU 86 CO -0.01 -0.15 0.11 -0.36 0.23 0.00 0.00 176.35 176.17 1uem s PHE 87 N -2.32 -0.09 0.16 0.29 0.08 -1.26 -1.86 117.98 112.98 1uem s PHE 87 Ca 0.35 0.40 0.05 0.00 0.12 0.00 0.00 56.93 57.85 1uem s PHE 87 Cb -0.05 -0.21 -0.04 0.00 -0.57 0.00 0.00 43.02 42.15 1uem s PHE 87 CO 0.23 -0.18 0.15 -1.64 -0.10 0.00 0.00 175.22 173.68 1uem s MET 88 N 1.55 2.96 -0.06 0.44 -1.94 -0.30 -4.21 119.30 117.74 1uem s MET 88 Ca -0.04 -0.83 0.06 0.00 -1.71 0.00 0.00 55.69 53.16 1uem s MET 88 Cb -0.12 -2.69 -0.01 0.00 2.01 0.00 0.00 34.83 34.03 1uem s MET 88 CO -0.05 0.49 -0.24 0.08 -0.01 0.00 0.00 175.02 175.30 1uem s VAL 89 N -1.74 1.95 0.09 -6.03 1.01 -1.26 -0.69 120.40 113.73 1uem s VAL 89 Ca 0.31 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 61.38 1uem s VAL 89 Cb -0.10 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1uem s VAL 89 CO 0.24 0.54 -0.24 -0.13 0.00 0.00 0.00 175.10 175.52 1uem s ARG 90 N -0.08 1.69 0.51 2.72 0.52 -0.78 -1.19 118.95 122.34 1uem s ARG 90 Ca -0.05 -1.19 -0.08 0.00 -0.52 0.00 0.00 55.73 53.89 1uem s ARG 90 Cb -0.14 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 1uem s ARG 90 CO 0.04 0.49 0.85 0.00 0.02 0.00 0.00 175.30 176.70 1uem s ALA 91 N -0.98 3.30 0.03 2.13 0.00 -1.26 -0.26 121.76 124.73 1uem s ALA 91 Ca 0.14 -0.32 0.07 0.00 0.00 0.00 0.00 51.96 51.85 1uem s ALA 91 Cb -0.10 -2.76 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 1uem s ALA 91 CO 0.05 -0.37 -0.19 0.42 0.00 0.00 0.00 175.76 175.67 1uem s ILE 92 N -2.78 1.56 0.26 0.00 1.01 0.25 -1.24 121.20 120.25 1uem s ILE 92 Ca 0.50 -1.09 0.02 0.00 0.00 0.00 0.00 60.65 60.08 1uem s ILE 92 Cb -0.10 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 1uem s ILE 92 CO 0.44 0.22 0.16 0.54 0.00 0.00 0.00 174.94 176.30 1uem s ASN 93 N -1.02 0.95 -0.04 3.58 4.22 -0.85 -0.56 114.94 121.22 1uem s ASN 93 Ca 0.07 -1.50 0.01 0.00 -2.14 0.00 0.00 52.86 49.29 1uem s ASN 93 Cb -0.08 0.38 0.07 0.00 1.28 0.00 0.00 41.25 42.90 1uem s ASN 93 CO 0.01 -0.88 1.00 -0.81 -2.04 0.00 0.00 177.10 174.39 1uem n PRO 94 N -0.45 1.17 0.00 3.55 -0.04 -1.26 -3.13 135.00 134.85 1uem n PRO 94 Ca 0.02 -0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 1uem n PRO 94 Cb 0.65 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 1uem n PRO 94 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1uem n GLN 95 N 0.29 0.00 -3.40 0.54 1.13 -1.26 -5.14 117.38 109.53 1uem n GLN 95 Ca 0.05 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.13 1uem n GLN 95 Cb 0.57 -0.56 0.01 0.00 0.11 0.00 0.00 30.24 30.37 1uem n GLN 95 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1uem n GLY 96 N 2.18 0.41 3.95 1.08 0.00 -1.18 -5.17 105.19 106.46 1uem n GLY 96 Ca 0.00 -1.01 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 1uem n GLY 96 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1uem s LEU 97 N 0.00 3.53 0.62 0.99 0.05 -1.26 -2.00 118.68 120.61 1uem s LEU 97 Ca 0.21 0.28 -0.05 0.00 0.05 0.00 0.00 54.13 54.63 1uem s LEU 97 Cb -0.01 -3.15 0.03 0.00 -2.05 0.00 0.00 46.19 41.01 1uem s LEU 97 CO 0.00 -0.82 0.91 -0.94 -0.55 0.00 0.00 176.35 174.95 1uem s SER 98 N -4.26 5.30 0.58 1.48 1.04 -0.37 -4.97 113.70 112.49 1uem s SER 98 Ca 0.51 0.52 -0.18 0.00 0.48 0.00 0.00 55.95 57.27 1uem s SER 98 Cb -0.10 -1.39 -0.10 0.00 0.10 0.00 0.00 66.02 64.52 1uem s SER 98 CO 0.39 -1.24 0.27 0.47 0.98 0.00 0.00 173.24 174.12 1uem n ASP 99 N -2.64 -2.06 -4.75 7.02 8.00 -1.26 -4.78 116.55 116.07 1uem n ASP 99 Ca 0.06 0.68 -0.33 0.00 0.71 0.00 0.00 54.79 55.90 1uem n ASP 99 Cb 0.59 -1.06 0.06 0.00 -0.02 0.00 0.00 41.12 40.69 1uem n ASP 99 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1uem s PRO 100 N -1.80 2.58 0.65 -0.24 0.04 -1.26 -4.62 135.00 130.34 1uem s PRO 100 Ca 0.64 1.49 -0.17 0.00 0.04 0.00 0.00 61.00 63.00 1uem s PRO 100 Cb -0.44 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 1uem s PRO 100 CO 0.59 -1.44 0.78 -1.13 0.04 0.00 0.00 177.00 175.84 1uem n SER 101 N -2.54 -0.11 -4.65 6.66 3.41 -0.34 -4.80 113.62 111.26 1uem n SER 101 Ca 0.11 0.71 -0.43 0.00 -0.26 0.00 0.00 58.87 59.01 1uem n SER 101 Cb 0.51 -1.31 -0.00 0.00 -0.26 0.00 0.00 64.21 63.15 1uem n SER 101 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1uem n PRO 102 N -0.93 1.73 -1.69 4.33 -0.02 -1.26 -4.80 135.00 132.36 1uem n PRO 102 Ca 0.12 0.61 -0.44 0.00 -2.02 0.00 0.00 63.50 61.78 1uem n PRO 102 Cb 0.48 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.79 1uem n PRO 102 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1uem n MET 103 N 0.48 2.48 0.21 -0.52 2.81 -1.26 -4.29 117.12 117.03 1uem n MET 103 Ca 0.07 0.89 0.15 0.00 -1.81 0.00 0.00 57.70 57.00 1uem n MET 103 Cb 0.36 -2.71 0.75 0.00 -0.71 0.00 0.00 33.22 30.90 1uem n MET 103 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1uem h SER 104 N 6.56 0.00 -4.29 7.83 0.87 -1.78 -3.46 113.55 119.28 1uem h SER 104 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1uem h SER 104 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1uem h SER 104 CO 0.92 0.00 0.00 -0.67 -0.53 0.00 0.00 176.83 176.55 1uem n ASP 105 N -2.51 0.00 -4.55 6.23 2.03 -1.26 -4.88 116.55 111.61 1uem n ASP 105 Ca -0.01 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.93 1uem n ASP 105 Cb 0.08 0.47 -0.03 0.00 -0.72 0.00 0.00 41.12 40.92 1uem n ASP 105 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1uem s PRO 106 N -3.66 2.83 0.44 -0.67 0.04 -1.26 -4.79 135.00 127.93 1uem s PRO 106 Ca 0.00 0.07 -0.10 0.00 0.04 0.00 0.00 61.00 61.02 1uem s PRO 106 Cb 0.00 -4.57 -0.06 0.00 0.04 0.00 0.00 34.50 29.92 1uem s PRO 106 CO 0.00 -2.68 0.80 0.14 0.04 0.00 0.00 177.00 175.30 1uem s VAL 107 N 8.13 4.80 0.34 -0.36 -7.23 -0.94 -4.87 120.40 120.26 1uem s VAL 107 Ca 0.58 0.57 0.07 0.00 -1.81 0.00 0.00 61.98 61.40 1uem s VAL 107 Cb -0.09 -3.77 -0.03 0.00 0.56 0.00 0.00 36.38 33.05 1uem s VAL 107 CO 0.12 -0.65 0.30 -0.60 -0.31 0.00 0.00 175.10 173.97 1uem s ARG 108 N -4.15 2.72 0.31 4.82 3.52 -1.26 -0.84 118.95 124.07 1uem s ARG 108 Ca 0.51 -1.30 0.07 0.00 -0.13 0.00 0.00 55.73 54.87 1uem s ARG 108 Cb -0.10 -2.48 -0.02 0.00 -1.56 0.00 0.00 34.95 30.79 1uem s ARG 108 CO 0.36 0.08 0.38 0.95 -0.81 0.00 0.00 175.30 176.26 1uem s THR 109 N -2.31 4.20 1.03 4.11 -4.23 -1.07 -4.93 115.64 112.43 1uem s THR 109 Ca 0.41 -1.12 -0.16 0.00 -1.18 0.00 0.00 61.69 59.65 1uem s THR 109 Cb -0.06 -3.44 0.21 0.00 1.34 0.00 0.00 72.50 70.55 1uem s THR 109 CO 0.27 -0.21 1.17 -1.10 -0.54 0.00 0.00 174.62 174.21 1uem s GLN 110 N -4.06 0.16 0.67 3.99 -0.21 -0.64 -2.85 119.66 116.71 1uem s GLN 110 Ca 0.41 0.01 -0.17 0.00 0.02 0.00 0.00 55.36 55.63 1uem s GLN 110 Cb -0.08 -1.75 0.00 0.00 1.00 0.00 0.00 33.01 32.18 1uem s GLN 110 CO 0.29 -2.81 1.24 0.34 -2.12 0.00 0.00 175.29 172.23 1uem s ASP 111 N -4.15 4.59 -0.53 5.90 -1.08 -1.26 -1.64 116.67 118.50 1uem s ASP 111 Ca 0.69 2.46 0.06 0.00 -0.52 0.00 0.00 52.55 55.24 1uem s ASP 111 Cb -0.11 -2.60 0.21 0.00 -1.46 0.00 0.00 42.92 38.97 1uem s ASP 111 CO 0.54 -2.00 0.53 -0.24 0.52 0.00 0.00 175.17 174.52 1uem n SER 112 N -2.15 1.56 0.00 -0.34 2.88 -1.26 -4.53 113.62 109.78 1uem n SER 112 Ca 0.14 -2.92 0.00 0.00 -1.33 0.00 0.00 58.87 54.76 1uem n SER 112 Cb 0.49 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 1uem n SER 112 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uem n GLY 113 N 1.71 3.67 3.81 0.46 0.00 -1.26 -5.12 105.19 108.46 1uem n GLY 113 Ca 0.25 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1uem n GLY 113 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uem s PRO 114 N 2.58 2.99 0.14 1.61 0.04 -1.26 -5.09 135.00 136.01 1uem s PRO 114 Ca 0.00 1.06 -0.24 0.00 0.04 0.00 0.00 61.00 61.86 1uem s PRO 114 Cb 0.00 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.61 1uem s PRO 114 CO 0.00 -1.07 0.72 -1.54 0.04 0.00 0.00 177.00 175.15 1uem s SER 115 N -3.41 -0.44 -1.30 6.66 1.04 -1.26 -4.96 113.70 110.03 1uem s SER 115 Ca 0.60 -0.14 -0.11 0.00 0.48 0.00 0.00 55.95 56.78 1uem s SER 115 Cb -0.15 0.57 0.09 0.00 0.10 0.00 0.00 66.02 66.63 1uem s SER 115 CO 0.49 -0.96 0.51 -1.20 0.98 0.00 0.00 173.24 173.06 1uem n SER 116 N -0.37 -3.33 0.00 7.02 7.64 -1.26 -5.30 113.62 118.01 1uem n SER 116 Ca -0.12 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.28 1uem n SER 116 Cb 0.63 -2.77 0.00 0.00 -1.01 0.00 0.00 64.21 61.06 1uem n SER 116 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64